C448-0399 Screening compound: N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C448-0399 Screening compound: N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C448-0399 Screening compound: N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0399
N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C448-0399

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-(3-methylbutyl)-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CC(C)CCNC(c1cc(C(Nc2c-3cccc2)=O)c3s1)=O

InChI

InChI=1S/C17H18N2O2S/c1-10(2)7-8-18-17(21)14-9-12-15(22-14)11-5-3-4-6-13(11)19-16(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

WDTGFLYCTLALOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.88

Polar Surface Area

50.389

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C448-0399 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C448-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0399?
Check Price and Availability of C448-0399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C448-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0399
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C448-0399 available by request